Package: libindigo-dev (1.2.3-3.1) [debports]
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- Homepage [lifescience.opensource.epam.com]
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Organic Chemistry Toolkit (development files)
Indigo is a C++ based organic chemistry and cheminformatics software environment. Features Include:
* Molecule and reaction rendering including SVG support * Automatic layout for SMILES-represented molecules and reactions * Canonical (isomeric) SMILES computation * Exact matching, substructure matching, SMARTS matching * Matching of tautomers and resonance structures * Molecule fingerprinting, molecule similarity computation * Fast enumeration of SSSR rings, subtrees, and edge sugraphs * Molecular weight, molecular formula computation * R-Group deconvolution and scaffold detection * Computation of the exact maximum common substructure for an arbitrary amount of input structures * Combinatorial chemistry * Plugin support in the API
File formats Indigo support include MDL Mol, SDF, RDF, CML, SMILES and SMARTS.
This package contains the static library and header files.
Other Packages Related to libindigo-dev
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- dep: libindigo0d (= 1.2.3-3.1)
- Organic Chemistry Toolkit
Download libindigo-dev
Architecture | Package Size | Installed Size | Files |
---|---|---|---|
alpha (unofficial port) | 3,030.8 kB | 34,510.0 kB | [list of files] |